Spectrum VF-NPL-LTQ007220 for 6,3'-Dimethoxyflavone

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
InChI=1S/C17H14O4/c1-19-12-5-3-4-11(8-12)17-10-15(18)14-9-13(20-2)6-7-16(14)21-17/h3-10H,1-2H3
C17H14O4
282.089208928
O=C1C=C(OC2=CC=C(OC)C=C12)C=3C=CC=C(OC)C3
LLLIKVGWTVPYAL-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35
NP_C4_16_p6_G02_iTree_NEG_05.raw
negative
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.8724629583159494
0.7941500084380724
281.5110375629208
M-H
1524.290623329094 ppm
0.42910463492080453 Da